CHEBI:180852 - DG(11D3/13D5/0:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name DG(11D3/13D5/0:0)
ChEBI ID CHEBI:180852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H80O7
Net Charge 0
Average Mass 757.150
Monoisotopic Mass 756.59040
InChI InChI=1S/C47H80O7/c1-7-9-24-30-43-39(5)40(6)45(54-43)32-26-20-16-12-10-11-13-19-23-28-34-47(50)52-41(35-48)36-51-46(49)33-27-22-18-15-14-17-21-25-31-44-38(4)37(3)42(53-44)29-8-2/h41,48H,7-36H2,1-6H3/t41-/m0/s1
InChIKey YDLVKXFDBPVVCB-RWYGWLOXSA-N
SMILES O1C(CCCCCCCCCCCCC(O[C@H](COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCC)CO)=O)=C(C(=C1CCCCC)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing DG(11D3/13D5/0:0) (CHEBI:180852) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
[(2S)-1-[11-(3,4-dimethyl-5-propyluran-2-yl)undecanoyloxy]-3-hydroxypropan-2-yl] 13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoate
Manual Xrefs Databases
74878085 ChemSpider
HMDB0116373 HMDB
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